HRID1561068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID31374

Dimethylacetamide

C4H9NO

HCID5325685

1,4-Dimethyl-1H-pyrazole-3-carboxylic acid

C6H8N2O2

结构：Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1F

HCID57505446

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(C)nc1C(=O)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1F

HCID57505564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca3ceba7b20e440dbebd91ab36bce9d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][n:2]1[n:3][c:4]([C:8](=[O:9])[OH:10])[c:5]([CH3:7])[cH:6]1.[CH3:49][N:50]([CH3:51])[C:52](=[O:53])[CH3:54].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[NH2:15][c:16]1[cH:17][c:18]([O:19][c:20]2[cH:21][cH:22][c:23]3[n:24]([n:25]2)[cH:26][c:27]([NH:29][C:30](=[O:31])[CH:32]2[CH2:33][CH2:34]2)[n:28]3)[cH:35][cH:36][c:37]1[F:38].[Na+:39].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH:40][C:41](=[O:42])[O-:43].[S:11]([Cl:12])([Cl:13])=[O:14]>>[CH3:1][n:2]1[n:3][c:4]([C:8](=[O:10])[NH:15][c:16]2[cH:17][c:18]([O:19][c:20]3[cH:21][cH:22][c:23]4[n:24]([n:25]3)[cH:26][c:27]([NH:29][C:30](=[O:31])[CH:32]3[CH2:33][CH2:34]3)[n:28]4)[cH:35][cH:36][c:37]2[F:38])[c:5]([CH3:7])[cH:6]1